Methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate
TL;DR: Methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate (CAS 300674-01-5) is a chemical compound with molecular formula C13H13NO5 and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
Also Known As: ChemDiv2_003980, IDI1_002695, BIM-0002872.P001, methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate, VU0509993-1
| Molecular Formula | C13H13NO5 |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.07938 |
| Heavy Atoms | 19 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 300674-01-5 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)OCC(=O)N)C(=O)OC |
| InChIKey | VWHVKJOGQICFMT-UHFFFAOYSA-N |
Product Overview
Methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate (CAS 300674-01-5), with molecular formula C13H13NO5 and molecular weight 263.08 g/mol. IUPAC: methyl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of Methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate
Property Insights of Methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate?
The CAS number of Methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate is 300674-01-5.
What is the molecular formula of Methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate?
The molecular formula of Methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate is C13H13NO5.
What is the molecular weight of Methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate?
The molecular weight of Methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate is 263.08 g/mol.
Where can I buy Methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate?
You can request a quote for Methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(carbamoylmethoxy)-2-methyl-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.